Molecule

ID:45224

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClN₃O₂
Molecular Mass
201.61032
Exact Mass
201.03050419
Charge
0
InChI
InChI=1S/C7H8ClN3O2/c1-13-7(12)4-3-10-6(8)2-5(4)11-9/h2-3H,9H2,1H3,(H,10,11)
InChIKey
VJNDGPGOEXUBQA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cnc(cc1NN)Cl
Isomeric Smiles
c1(c(cc(nc1)Cl)NN)C(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.564067
LogD (pH = 7.4)
1.6240933
Log P
1.6249148
Molar Refractivity
51.4992
Polarizability
18.459124
Polar Surface Area
77.24
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation